We present an ab initio pseudopotential study, within the local density functional approximation, of the structural and elastic properties of rock-salt TiC. The calculated structural and elastic properties of TiC are in ...

Using a first-principles pseudopotential technique, we have presented static and dynamical properties of cubic-BN. The calculated values for the lattice constant, bulk modulus, its first derivative and optical dielectric ...

We use an ab initio pseudopotential method within the local-density approximation to determine the structural and electronic properties of the BeSe(1 1 0) surface. The relaxed geometry of this surface shows tilted cation-anion ...

The atomic geometry on the alpha-Sn(001)(2x1) surface have been studied by applying the ab initio pseudopotential method. Using the relaxed geometry, we studied atomic vibrations on this surface by employing two different ...

We have employed the ab initio plane-wave pseudopotential method, within a local-density approximation of the density-functional theory, and a linear-response approach, to investigate structural, electronic and phonon ...

The electronic structures and elastic constants of LaSb and YSb are calculated using an ab initio pseudopotential scheme within the generalized gradient approximation. In agreement with experimental studies, it has been ...

We present results of ab initio theoretical investigations of the electronic structure, phonon dispersion relations, electron-phonon interaction and superconductivity in the rocksalt and tungsten-carbide phases of CrC. It ...

We have made theoretical investigations of the atomic geometry, electronic structure, and lattice dynamics of the (001) surface of TaC. The atomic geometry and electronic structure for this surface have been calculated by ...

We have made theoretical investigations of the structural, elastic, electronic, lattice-dynamical, and superconducting properties of the antiperovskite compound CdCNi(3). The structural, elastic, and electronic properties ...

In this work, humidity sensing properties of steatite ceramic containing with boron oxide was investigated. The properties of the sample were determined by using impedance measurements at a frequency of 10 kHz. These ...